6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid

C12H20N2O4 — CID 43447360

IUPAC6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCC(=O)NC(=O)N1CCCCC1
InChIInChI=1S/C12H20N2O4/c15-10(6-2-3-7-11(16)17)13-12(18)14-8-4-1-5-9-14/h1-9H2,(H,16,17)(H,13,15,18)
InChIKeyVVFBIWGYUFYIKX-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.35
Rot. Bonds5

About 6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid

6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid (PubChem CID 43447360) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid
PubChem CID43447360
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid
SMILESO=C(O)CCCCC(=O)NC(=O)N1CCCCC1
InChIInChI=1S/C12H20N2O4/c15-10(6-2-3-7-11(16)17)13-12(18)14-8-4-1-5-9-14/h1-9H2,(H,16,17)(H,13,15,18)
InChIKeyVVFBIWGYUFYIKX-UHFFFAOYSA-N
XLogP1.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid
CID 43581886
5-(morpholine-4-carbonylamino)-5-oxopentanoic acid
CID 28931672
6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
CID 43585543
N-(3-chloropropanoyl)piperidine-1-carboxamide
CID 43146337
6-[(2-ethylazepane-1-carbonyl)amino]-6-oxohexanoic acid
CID 104690464
6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 43447279
N-(2-aminoacetyl)piperidine-1-carboxamide
CID 70167153
4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid
CID 28746387
6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid
CID 43447293
5-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 106587526
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63978254
2-[2-oxo-2-(pyrrolidine-1-carbonylamino)ethoxy]acetic acid
CID 61328307

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid?
The IUPAC name of 6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid (CID 43447360) is 6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid.
What is the SMILES notation for 6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid?
The canonical SMILES for 6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid is O=C(O)CCCCC(=O)NC(=O)N1CCCCC1.
What is the InChIKey of 6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid?
The InChIKey is VVFBIWGYUFYIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-10(6-2-3-7-11(16)17)13-12(18)14-8-4-1-5-9-14/h1-9H2,(H,16,17)(H,13,15,18).
What are the key properties of 6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid?
6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid has a molecular weight of 256.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid is sourced from PubChem (CID 43447360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).